2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(3-phenylpropyl)acetamide

C21H24N2O2 — CID 110681951

IUPAC2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(3-phenylpropyl)acetamide
SMILESCC(=O)N1CC(CC(=O)NCCCc2ccccc2)c2ccccc21
InChIInChI=1S/C21H24N2O2/c1-16(24)23-15-18(19-11-5-6-12-20(19)23)14-21(25)22-13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3,(H,22,25)
InChIKeyITIHNSRPFIQOPJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.28
Rot. Bonds6

About 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(3-phenylpropyl)acetamide

2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 110681951) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(3-phenylpropyl)acetamide
PubChem CID110681951
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(3-phenylpropyl)acetamide
SMILESCC(=O)N1CC(CC(=O)NCCCc2ccccc2)c2ccccc21
InChIInChI=1S/C21H24N2O2/c1-16(24)23-15-18(19-11-5-6-12-20(19)23)14-21(25)22-13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3,(H,22,25)
InChIKeyITIHNSRPFIQOPJ-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 110681932
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-cycloheptylacetamide
CID 110681954
1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone
CID 122202357
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone
CID 110681914
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-(3-phenylpropyl)acetamide
CID 166615612
N-(3-phenylpropyl)-2-piperidin-4-ylacetamide
CID 60905850
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide
CID 2574622
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
2-(2-hydroxyethylamino)-N-(3-phenylpropyl)acetamide
CID 163571162
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide
CID 110703494

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(3-phenylpropyl)acetamide (CID 110681951) is 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(3-phenylpropyl)acetamide is CC(=O)N1CC(CC(=O)NCCCc2ccccc2)c2ccccc21.
What is the InChIKey of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is ITIHNSRPFIQOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16(24)23-15-18(19-11-5-6-12-20(19)23)14-21(25)22-13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3,(H,22,25).
What are the key properties of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(3-phenylpropyl)acetamide?
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 336.44 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 110681951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).